1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea

C13H17F2N3O — CID 114696666

IUPAC1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
SMILESCC1(NC(=O)Nc2ccc(F)cc2F)CCNCC1
InChIInChI=1S/C13H17F2N3O/c1-13(4-6-16-7-5-13)18-12(19)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19)
InChIKeyKDUVVBRCVVOQAY-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.23
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea

1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea (PubChem CID 114696666) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
PubChem CID114696666
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
SMILESCC1(NC(=O)Nc2ccc(F)cc2F)CCNCC1
InChIInChI=1S/C13H17F2N3O/c1-13(4-6-16-7-5-13)18-12(19)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19)
InChIKeyKDUVVBRCVVOQAY-UHFFFAOYSA-N
XLogP2.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147
N-(2,4-difluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119673285
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-(1-ethynylcyclohexyl)urea
CID 3719887
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977256
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea (CID 114696666) is 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea is CC1(NC(=O)Nc2ccc(F)cc2F)CCNCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea?
The InChIKey is KDUVVBRCVVOQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-13(4-6-16-7-5-13)18-12(19)17-11-3-2-9(14)8-10(11)15/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea?
1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea has a molecular weight of 269.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea is sourced from PubChem (CID 114696666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).